| SpectraBase Spectrum ID |
BpR1Kltnrd |
| Name |
Benzene, 1,1'-(1,4-dichloro-2-butene-1,4-diyl)bis[2,6-dichloro-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.891366522 u |
| Formula |
C16H10Cl6 |
| InChI |
InChI=1S/C16H10Cl6/c17-10-3-1-4-11(18)9(10)7-8-14(21)16(22)15-12(19)5-2-6-13(15)20/h1-8,14,16H/b8-7+/t14-,16-/m1/s1 |
| InChIKey |
HMFUWRIFIGFBKP-XIHNBGGYSA-N |
| Molecular Weight |
414.974 g/mol |
| SMILES |
C1([C@@]([C@@](\C=C\C=2C(Cl)=CC=CC2Cl)(Cl)[H])(Cl)[H])=C(Cl)C=CC=C1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961149 |
